SCHEMBL22503136

SCHEMBL22503136

C=C(C)C(=O)OC12CC3CC(CC(CC(=O)NS(=O)(=O)C(F)(F)F)(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.33
USP2 O75604 1/20 0.32
SCN9A Q15858 2/20 0.32
TSHR P16473 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22503190 0.90 SCN9A (0.32) SCN9A
SCHEMBL22503137 0.87 EPHX2 (0.32) SCN9A
SCHEMBL20364781 0.81 THRB (0.33) ALDH1A1
SCHEMBL19480437 0.81 SCN9A (0.33) SCN9A
SCHEMBL10204371 0.81 GAA (0.34) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL775943 0.80 DPP4 (0.34)
SCHEMBL2742246 0.80 SCN9A (0.34) ALDH1A1KMT2AMEN1SCN9A
SCHEMBL15964113 0.79 GAA (0.42) ALDH1A1KMT2AMEN1GAAUSP2
SCHEMBL10040367 0.78 POLB (0.50) ALDH1A1KMT2AMEN1GAATSHR
SCHEMBL12376785 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10792489-B2 Bio-electrode composition, bio-electrode, and method for manufacturing the bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-06 US disclosed